Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 10/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 10/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8538954 | 1.00 | POLB (0.49) | POLBCYP3A4CYP2C19OPRM1OPRD1 | |
| SCHEMBL8538961 | 1.00 | POLB (0.49) | POLBCYP3A4CYP2C19OPRM1OPRD1 | |
| SCHEMBL7980018 | 0.80 | POLB (0.59) | POLBCYP3A4CYP2C19ACE | |
| SCHEMBL8541519 | 0.80 | PRMT5 (0.46) | OPRD1ACE | |
| SCHEMBL7966652 | 0.80 | POLB (0.59) | POLBCYP3A4CYP2C19ACE | |
| SCHEMBL17572854 | 0.72 | PRMT5 (0.42) | OPRM1OPRD1OPRK1ACE | |
| SCHEMBL9596147 | 0.71 | POLB (0.65) | POLBCYP3A4CYP2C19ACE | |
| SCHEMBL18711805 | 0.71 | POLB (0.65) | POLBCYP3A4CYP2C19OPRM1OPRD1 | |
| SCHEMBL18711811 | 0.71 | POLB (0.61) | POLBCYP3A4CYP2C19OPRM1ACE | |
| SCHEMBL21081936 | 0.70 | RIPK1 (0.48) | POLBCYP3A4CYP2C19OPRM1OPRD1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |